COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK610442
Chemical Name: 1-[(2Z)-5-{[4-(butan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]-3-(3,4-dichlorophenyl)urea
Smiles: CCC(c1ccc(cc1)OCc1n[nH]/c(=N/C(=O)Nc2ccc(c(c2)Cl)Cl)/s1)C

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Molecular Weight: 451.38
Empirical Formula: C20H20Cl2N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.299
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 100
Number of rings: 3

     

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